LMPR0106150038 LIPID_MAPS_STRUCTURE_DATABASE 89 98 0 0 0 0 0 0 0 0999 V2000 22.7216 9.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7170 9.0555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4339 8.6373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1549 9.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 7.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1459 7.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7082 7.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7058 6.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9915 7.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9960 8.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8498 11.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5683 11.1344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2874 11.5479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2882 12.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0060 11.1308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7251 11.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0053 10.2998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2861 9.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5676 10.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9756 11.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6985 11.1029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4106 11.5289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3994 12.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1376 11.1255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1489 10.2963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8719 9.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4369 9.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7139 10.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8112 10.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8185 11.1090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1023 11.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 11.5177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5493 12.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2582 11.0965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2510 10.2669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5275 9.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9632 9.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6967 11.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5624 11.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9935 9.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 9.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5034 8.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6291 9.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3364 8.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0665 9.0402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7736 8.6038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7506 7.7731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4556 7.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0206 7.3789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3136 7.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9956 6.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 8.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 7.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3664 5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 6.6603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5531 5.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8232 11.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2338 10.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 11.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 7.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 7.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9678 8.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6712 7.8797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6677 7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3722 6.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0804 7.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 8.2894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0800 7.8709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0972 9.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 9.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 9.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7882 8.2737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4801 7.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1943 8.2496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5078 9.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2039 9.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9113 9.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 10.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5234 10.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 6.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5006 8.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7799 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 8.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6638 8.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 7.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 6.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9614 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 7.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8040 9.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 41 1 6 0 0 0 45 46 1 0 0 0 0 46 42 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 1 0 0 0 44 50 1 0 0 0 0 22 23 1 6 0 0 0 52 43 1 0 0 0 0 22 24 1 0 0 0 0 52 53 2 0 0 0 0 55 54 1 0 0 0 0 55 56 1 6 0 0 0 24 11 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 21 28 1 0 0 0 0 60 61 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 12 11 1 0 0 0 0 60 62 1 0 0 0 0 61 55 1 0 0 0 0 55 64 1 0 0 0 0 63 62 1 0 0 0 0 63 64 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 63 67 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 68 1 0 0 0 0 67 68 1 0 0 0 0 15 17 1 0 0 0 0 17 1 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 67 70 1 0 0 0 0 68 72 1 0 0 0 0 71 69 2 0 0 0 0 69 70 1 0 0 0 0 71 72 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 20 1 1 0 0 0 71 75 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 76 1 0 0 0 0 75 76 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 6 0 0 0 29 36 1 0 0 0 0 17 18 1 0 0 0 0 75 79 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 58 1 0 0 0 0 58 79 1 0 0 0 0 21 38 1 6 0 0 0 61 80 1 1 0 0 0 18 19 1 0 0 0 0 75 81 1 1 0 0 0 12 39 1 6 0 0 0 72 82 1 6 0 0 0 12 19 1 0 0 0 0 68 83 1 1 0 0 0 2 40 1 6 0 0 0 63 84 1 1 0 0 0 9 10 1 0 0 0 0 67 85 1 6 0 0 0 29 41 1 0 0 0 0 64 86 1 6 0 0 0 2 10 1 0 0 0 0 56 87 2 0 0 0 0 76 52 1 1 0 0 0 74 88 1 6 0 0 0 2 1 1 0 0 0 0 29 89 1 6 0 0 0 M END > LMPR0106150038 > quillaic acid alpha-L-Arap-(1->4)-alpha-L-Arap-(1->3)-beta-D-Xylp-(1->4)-alpha-L-Rhap-(1->2)-beta-D-fucopyranosyl ester > alpha-L-arabinopyranosyl-(1->4)-alpha-L-arabinopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(3beta,16alpha)-3,16-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose > C57H90O25 > 1174.58 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > OFOINNASBFYBOI-NJDMZDQFSA-N > InChI=1S/C57H90O25/c1-23-34(63)37(66)45(81-49-41(70)38(67)43(24(2)77-49)79-48-42(71)44(28(60)20-74-48)80-47-40(69)36(65)29(21-75-47)78-46-39(68)35(64)27(59)19-73-46)50(76-23)82-51(72)57-16-15-52(3,4)17-26(57)25-9-10-31-53(5)13-12-32(61)54(6,22-58)30(53)11-14-55(31,7)56(25,8)18-33(57)62/h9,22-24,26-50,59-71H,10-21H2,1-8H3/t23-,24+,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50+,53+,54+,55-,56-,57-/m1/s1 > O([C@@]1(OC[C@H](O)[C@H](O)[C@H]1O)[H])[C@H]1CO[C@]([H])([C@@H]([C@H]1O)O)O[C@H]1[C@@H](CO[C@]([H])([C@@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@H]([C@H]([C@@H](C)O[C@H]2OC([C@]23CCC(C[C@@]2([H])C2[C@@](C)(C[C@H]3O)[C@@]3(C)[C@]([H])(CC=2)[C@]2(C)[C@@]([H])(CC3)[C@@]([C@@H](O)CC2)(C=O)C)(C)C)=O)O)O)[C@@H]([C@@H]1O)O)O > - > - > 66290 > - > - > - > 16082057 > - > - > - > - > - > - > - $$$$